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Search term: Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O[P](O)(O)=O (Found by conversion of search term to chemical structure (full match))

ChemSpider 2D Image | Adenosine 2'-(dihydrogen phosphate) 5'-(trihydrogen diphosphate) | C10H16N5O13P3

Adenosine 2'-(dihydrogen phosphate) 5'-(trihydrogen diphosphate)

  • Molecular FormulaC10H16N5O13P3
  • Average mass507.181 Da
  • Monoisotopic mass506.995758 Da
  • ChemSpider ID144850
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Adenosin-2'-(dihydrogenphosphat)-5'-(trihydrogendiphosphat) [German] [ACD/IUPAC Name]
Adenosine 2'-(dihydrogen phosphate) 5'-(trihydrogen diphosphate) [ACD/IUPAC Name]
Adenosine, 2'-(dihydrogen phosphate) 5'-(trihydrogen diphosphate) [ACD/Index Name]
Adénosine-2'-(dihydrogène phosphate) 5'-(trihydrogène diphosphate) [French] [ACD/IUPAC Name]
2'-MONOPHOSPHOADENOSINE-5'-DIPHOSPHATE
2'P-ADP
4457-01-6 [RN]
5'-Diphosphoadenosine 2'-phosphate
Adenosine 5'-(trihydrogen diphorphate), 2'-(dihydrogen phosphate)
AHI
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.6±0.1 g/cm3
Boiling Point: 994.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 151.9±3.0 kJ/mol
Flash Point: 555.1±37.1 °C
Index of Refraction: 1.904
Molar Refractivity: 89.8±0.5 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.66
ACD/LogD (pH 5.5): -10.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 309 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 197.4±7.0 dyne/cm
Molar Volume: 192.4±7.0 cm3

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